==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-OCT-99 1D9Y . COMPND 2 MOLECULE: PROTEIN (PERIPLASMIC IRON-BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR D.E.MCREE,C.M.BRUNS,P.A.WILLIAMS,T.A.MIETZNER,R.NUNN . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 2 2 1 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A D 0 0 103 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 125.1 21.9 46.9 51.0 2 2 A I E -a 28 0A 4 25,-2.3 27,-2.5 239,-0.1 2,-0.5 -0.825 360.0-141.0-128.3 155.9 21.6 43.5 52.6 3 3 A T E -a 29 0A 32 -2,-0.3 49,-3.1 47,-0.2 50,-1.7 -0.970 19.4-159.4-117.2 120.9 23.2 40.0 52.7 4 4 A V E -ab 30 53A 1 25,-2.8 27,-2.2 -2,-0.5 2,-1.1 -0.878 14.7-145.1-104.8 120.0 20.8 37.0 53.0 5 5 A Y E -ab 31 54A 13 48,-3.4 50,-2.4 -2,-0.6 2,-0.8 -0.766 31.5-157.3 -79.6 103.2 22.1 33.6 54.2 6 6 A N E +ab 32 55A 0 25,-1.5 27,-1.9 -2,-1.1 50,-0.2 -0.776 38.3 158.2 -99.9 101.6 19.8 31.6 51.9 7 7 A G + 0 0 4 48,-3.5 28,-0.4 -2,-0.8 49,-0.2 0.510 58.1 97.9 -88.0 -10.9 18.9 28.0 52.9 8 8 A Q S S- 0 0 5 47,-0.6 25,-0.2 1,-0.1 49,-0.1 -0.305 94.2 -79.9 -75.8 158.7 15.9 28.4 50.6 9 9 A H > - 0 0 44 1,-0.1 4,-2.6 23,-0.1 5,-0.3 -0.333 41.4-119.7 -59.9 143.4 15.8 27.0 47.1 10 10 A K H > S+ 0 0 152 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.892 113.4 52.4 -55.0 -44.3 17.6 29.4 44.7 11 11 A E H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.956 111.2 48.1 -55.8 -50.6 14.4 29.9 42.6 12 12 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.948 114.2 44.9 -51.5 -55.0 12.5 30.8 45.7 13 13 A A H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.870 111.6 51.3 -64.8 -37.8 15.0 33.3 47.0 14 14 A Q H X S+ 0 0 91 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.835 107.2 54.7 -73.1 -29.4 15.6 35.0 43.7 15 15 A A H X S+ 0 0 22 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.973 116.9 34.8 -63.1 -53.0 11.9 35.5 43.2 16 16 A V H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.918 117.9 53.6 -71.2 -41.6 11.4 37.3 46.6 17 17 A A H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.957 113.4 42.8 -54.0 -53.2 14.8 39.0 46.4 18 18 A D H X S+ 0 0 91 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.897 113.9 51.2 -62.5 -40.7 14.1 40.4 42.9 19 19 A A H X S+ 0 0 17 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.887 110.9 48.5 -67.1 -37.8 10.5 41.4 44.0 20 20 A F H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 5,-0.5 0.938 108.5 53.5 -61.6 -48.0 11.8 43.2 47.1 21 21 A T H X S+ 0 0 48 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.774 107.7 52.1 -63.6 -26.6 14.5 45.0 45.1 22 22 A R H < S+ 0 0 198 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.865 113.0 43.6 -72.9 -37.1 11.8 46.3 42.7 23 23 A A H < S+ 0 0 53 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.771 132.8 16.3 -80.3 -26.1 9.6 47.7 45.5 24 24 A T H < S- 0 0 41 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.675 88.3-124.7-122.4 -29.6 12.4 49.3 47.5 25 25 A G < + 0 0 52 -4,-1.2 2,-0.4 -5,-0.5 -4,-0.2 0.424 64.7 139.2 86.2 1.9 15.5 49.7 45.4 26 26 A I - 0 0 15 -6,-0.4 -1,-0.3 -25,-0.1 -2,-0.2 -0.668 50.3-130.0 -86.4 127.9 17.4 47.7 48.0 27 27 A K - 0 0 136 -2,-0.4 -25,-2.3 -3,-0.1 2,-0.5 -0.461 15.4-152.6 -79.7 146.7 19.9 45.2 46.7 28 28 A V E -a 2 0A 24 -27,-0.2 2,-0.6 -2,-0.1 -25,-0.2 -0.973 1.9-157.8-122.3 120.9 20.0 41.6 48.0 29 29 A K E -a 3 0A 133 -27,-2.5 -25,-2.8 -2,-0.5 2,-0.6 -0.876 15.7-148.2 -95.9 124.7 23.2 39.5 47.9 30 30 A L E -a 4 0A 35 -2,-0.6 2,-0.7 -27,-0.2 -25,-0.2 -0.839 16.4-175.0-100.5 118.9 22.3 35.8 48.0 31 31 A N E -a 5 0A 59 -27,-2.2 -25,-1.5 -2,-0.6 2,-0.2 -0.872 23.6-161.9-107.9 94.1 24.7 33.4 49.8 32 32 A C E +a 6 0A 53 -2,-0.7 2,-0.3 -27,-0.2 -25,-0.2 -0.559 31.4 103.2 -89.9 140.7 23.1 30.0 48.9 33 33 A A S S- 0 0 46 -27,-1.9 2,-0.3 -2,-0.2 3,-0.0 -0.948 71.9 -38.3-176.8-163.8 23.7 26.7 50.7 34 34 A K > - 0 0 59 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.613 42.9-137.0 -76.5 137.2 22.1 24.3 53.2 35 35 A G H > S+ 0 0 7 -28,-0.4 4,-3.0 -2,-0.3 5,-0.3 0.905 107.2 59.3 -56.4 -45.5 20.2 25.9 56.1 36 36 A D H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 111.5 39.6 -37.6 -66.2 21.9 23.3 58.3 37 37 A Q H > S+ 0 0 109 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.960 115.4 49.6 -52.9 -62.3 25.3 24.5 57.2 38 38 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.3 -1,-0.2 0.819 109.4 53.8 -55.9 -33.0 24.5 28.3 57.2 39 39 A A H X S+ 0 0 2 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.3 0.931 110.8 45.3 -66.7 -43.6 23.0 28.0 60.7 40 40 A G H X S+ 0 0 35 -4,-1.9 4,-2.3 -3,-0.4 -2,-0.2 0.928 113.1 52.2 -62.1 -44.8 26.2 26.3 62.0 41 41 A Q H X S+ 0 0 74 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.954 105.6 52.5 -51.9 -57.8 28.2 29.0 60.2 42 42 A I H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.846 108.7 52.9 -52.5 -37.0 26.3 31.9 61.7 43 43 A K H >< S+ 0 0 79 -4,-1.6 3,-0.6 2,-0.2 -1,-0.2 0.977 111.2 44.7 -61.2 -57.0 27.0 30.3 65.1 44 44 A E H 3< S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.0 55.5 -43.9 -51.1 30.7 30.2 64.4 45 45 A E H >< S+ 0 0 20 -4,-3.0 3,-2.2 1,-0.2 -1,-0.2 0.778 76.0 170.3 -63.7 -34.7 30.6 33.7 63.0 46 46 A G G X< S- 0 0 23 -4,-1.5 3,-1.8 -3,-0.6 -1,-0.2 -0.297 75.5 -12.3 51.0-139.7 29.1 35.4 66.0 47 47 A S G 3 S+ 0 0 111 1,-0.3 -1,-0.3 187,-0.1 -2,-0.1 0.572 131.9 72.2 -63.9 -11.3 29.2 39.2 65.6 48 48 A R G < S+ 0 0 209 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.550 70.1 120.4 -83.1 -5.4 31.6 38.7 62.7 49 49 A S < - 0 0 11 -3,-1.8 -7,-0.0 -7,-0.2 184,-0.0 -0.363 52.9-157.5 -66.4 134.7 28.8 37.4 60.5 50 50 A P + 0 0 74 0, 0.0 2,-0.4 0, 0.0 -47,-0.2 0.443 61.1 113.6 -81.2 -2.5 28.2 39.3 57.3 51 51 A A + 0 0 0 1,-0.2 -47,-0.2 -49,-0.1 185,-0.1 -0.588 37.3 174.3 -82.1 129.1 24.7 37.9 57.2 52 52 A D S S+ 0 0 5 -49,-3.1 181,-2.5 -2,-0.4 2,-0.3 0.839 71.4 24.4 -91.9 -47.0 21.7 40.2 57.7 53 53 A V E -bC 4 232A 0 -50,-1.7 -48,-3.4 179,-0.2 2,-0.5 -0.913 64.2-149.4-122.5 146.0 18.9 37.8 57.1 54 54 A F E -bC 5 231A 0 177,-3.0 177,-1.2 -2,-0.3 2,-0.5 -0.983 12.1-169.0-119.4 122.5 18.6 34.1 57.4 55 55 A Y E -bC 6 230A 3 -50,-2.4 -48,-3.5 -2,-0.5 -47,-0.6 -0.936 12.8-176.0-110.4 115.0 16.1 32.3 55.0 56 56 A S E - C 0 229A 3 173,-3.2 173,-1.8 -2,-0.5 -48,-0.1 -0.844 35.2-146.6-121.9 153.2 15.4 28.6 55.8 57 57 A E S S+ 0 0 38 -2,-0.3 2,-0.3 171,-0.2 -1,-0.1 0.705 92.6 33.5 -78.7 -23.6 13.4 25.8 54.3 58 58 A Q S > S- 0 0 13 170,-0.1 4,-0.6 171,-0.1 3,-0.3 -0.962 75.2-128.4-137.1 147.8 12.6 24.5 57.7 59 59 A I H >> S+ 0 0 6 168,-0.6 4,-2.4 -2,-0.3 3,-1.0 0.848 97.7 71.1 -68.0 -38.5 12.0 25.9 61.2 60 60 A P H 3> S+ 0 0 8 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.883 95.3 55.0 -45.7 -46.4 14.5 23.8 63.2 61 61 A A H 3> S+ 0 0 13 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.893 112.3 44.5 -52.9 -38.6 17.4 25.7 61.6 62 62 A L H S+ 0 0 0 -4,-1.5 5,-1.8 -5,-0.3 6,-0.4 0.865 113.7 50.1 -51.9 -36.1 19.8 29.8 66.0 66 66 A S H ><5S+ 0 0 11 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.861 105.6 55.2 -73.3 -32.8 17.0 31.1 68.2 67 67 A A H 3<5S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.776 104.9 54.7 -66.8 -27.5 18.1 28.9 71.1 68 68 A A T 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.393 112.2-123.3 -86.7 -1.8 21.5 30.5 70.8 69 69 A N T < 5S+ 0 0 84 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.871 74.0 125.7 62.8 40.5 19.9 33.9 71.2 70 70 A L < + 0 0 43 -5,-1.8 164,-2.7 2,-0.1 165,-0.4 0.462 44.2 92.0-107.8 -1.9 21.4 35.2 67.9 71 71 A L B S-G 233 0B 1 -6,-0.4 162,-0.2 162,-0.2 24,-0.1 -0.765 74.5-120.5-102.7 140.2 18.1 36.4 66.2 72 72 A E - 0 0 43 160,-3.3 160,-0.5 -2,-0.4 -2,-0.1 -0.606 31.4-112.9 -78.5 126.0 16.6 39.8 66.4 73 73 A P - 0 0 64 0, 0.0 21,-0.3 0, 0.0 20,-0.2 -0.287 34.9-143.5 -53.3 136.1 13.1 40.1 67.8 74 74 A L - 0 0 9 19,-3.9 21,-0.1 18,-0.2 2,-0.1 -0.709 17.9 -97.8-106.8 158.4 10.6 41.1 65.2 75 75 A P >> - 0 0 54 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.343 33.3-111.3 -72.2 153.9 7.5 43.4 65.5 76 76 A A T 34 S+ 0 0 57 1,-0.2 17,-0.0 2,-0.2 -2,-0.0 0.009 114.0 62.7 -77.4 31.3 4.0 42.0 66.0 77 77 A S T 3> S+ 0 0 77 -2,-0.5 4,-0.6 3,-0.1 -1,-0.2 0.533 105.3 43.6-118.3 -32.9 3.0 43.1 62.5 78 78 A T H X> S+ 0 0 5 -3,-1.0 3,-0.7 2,-0.2 4,-0.6 0.960 119.5 44.1 -63.7 -58.1 5.6 40.9 60.8 79 79 A I H >< S+ 0 0 5 -4,-1.9 3,-1.2 1,-0.2 4,-0.5 0.909 113.2 49.3 -55.2 -48.1 4.7 38.0 63.0 80 80 A N H >4 S+ 0 0 82 1,-0.3 3,-0.5 -5,-0.2 -1,-0.2 0.731 92.2 80.4 -70.6 -19.7 0.9 38.5 62.8 81 81 A E H << S+ 0 0 65 -3,-0.7 189,-0.3 -4,-0.6 -1,-0.3 0.832 109.9 22.5 -54.5 -36.5 1.1 38.6 59.0 82 82 A T T << S+ 0 0 2 -3,-1.2 -1,-0.3 -4,-0.6 2,-0.2 0.294 86.8 135.8-117.1 7.4 1.3 34.9 58.8 83 83 A R < + 0 0 107 -3,-0.5 2,-0.3 -4,-0.5 -3,-0.1 -0.395 36.7 131.6 -55.6 119.5 -0.3 34.0 62.2 84 84 A G > - 0 0 36 -2,-0.2 3,-2.5 3,-0.2 -2,-0.1 -0.979 57.1 -39.6-165.0 173.6 -2.7 31.2 61.4 85 85 A K T 3 S- 0 0 159 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.193 122.4 -10.6 -47.8 114.5 -4.1 27.7 62.1 86 86 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 201,-0.0 202,-0.1 0.460 94.5 146.7 77.5 2.9 -1.3 25.3 63.0 87 87 A V < - 0 0 25 -3,-2.5 -1,-0.2 1,-0.1 -3,-0.2 -0.587 51.1-116.9 -78.0 128.4 1.5 27.8 62.1 88 88 A P - 0 0 20 0, 0.0 9,-0.6 0, 0.0 2,-0.3 -0.334 32.4-164.2 -67.3 142.1 4.6 27.6 64.2 89 89 A V B -D 96 0A 69 7,-0.1 2,-0.4 -2,-0.1 7,-0.1 -0.968 19.1-116.2-134.0 144.5 5.5 30.7 66.2 90 90 A A > - 0 0 7 5,-0.6 3,-1.2 -2,-0.3 5,-0.0 -0.641 10.4-144.4 -85.2 129.1 8.6 31.9 68.0 91 91 A A T 3 S+ 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.843 107.6 37.1 -53.0 -33.5 8.5 32.3 71.8 92 92 A K T 3 S- 0 0 94 -3,-0.0 -1,-0.3 -20,-0.0 -18,-0.2 0.385 105.8-125.1-104.2 2.4 10.9 35.3 71.3 93 93 A K S < S+ 0 0 95 -3,-1.2 -19,-3.9 -20,-0.2 -14,-0.1 0.805 73.0 130.0 56.8 29.6 9.3 36.6 68.1 94 94 A D + 0 0 2 -21,-0.3 138,-0.3 1,-0.1 2,-0.3 0.348 68.7 27.7-101.5 6.9 12.9 36.3 66.7 95 95 A W - 0 0 16 136,-0.1 -5,-0.6 -24,-0.1 2,-0.4 -0.971 67.8-150.1-151.7 163.1 11.7 34.4 63.6 96 96 A V E -DE 89 230A 4 134,-1.9 134,-2.0 -2,-0.3 -7,-0.1 -0.996 17.1-126.3-137.8 134.0 8.6 34.1 61.5 97 97 A A E + E 0 229A 1 -9,-0.6 132,-0.3 -2,-0.4 -15,-0.1 -0.345 28.4 172.8 -66.0 156.6 7.1 31.3 59.4 98 98 A L E + 0 0 1 130,-2.7 169,-1.6 1,-0.5 170,-0.3 0.575 54.6 8.6-139.9 -36.0 6.4 32.2 55.8 99 99 A S E -FE 266 228A 0 129,-1.4 129,-2.3 167,-0.2 -1,-0.5 -0.987 58.8-136.2-152.2 159.4 5.3 29.2 53.7 100 100 A G E -FE 265 227A 0 165,-2.8 165,-3.3 -2,-0.3 2,-0.4 -0.870 9.7-165.0-120.6 152.4 4.5 25.5 54.2 101 101 A R E - E 0 226A 0 125,-3.1 125,-2.7 -2,-0.3 2,-0.2 -0.999 16.0-134.4-138.4 137.9 5.4 22.3 52.3 102 102 A S E - E 0 225A 2 -2,-0.4 92,-1.8 123,-0.2 2,-0.4 -0.538 18.3-116.4 -90.7 150.2 3.8 18.9 52.4 103 103 A R E +H 193 0C 9 121,-3.2 2,-0.3 90,-0.2 90,-0.2 -0.695 45.4 177.8 -75.1 138.1 5.3 15.5 52.7 104 104 A V E -H 192 0C 6 88,-2.4 88,-2.3 -2,-0.4 2,-0.6 -0.976 34.9-133.0-139.3 149.3 4.5 13.5 49.6 105 105 A V E -HI 191 214C 9 109,-1.3 109,-2.6 -2,-0.3 2,-0.5 -0.961 25.7-156.9 -97.0 117.4 5.1 10.2 48.0 106 106 A V E -HI 190 213C 0 84,-2.6 84,-1.6 -2,-0.6 2,-0.3 -0.824 19.8-177.0 -92.6 126.6 6.1 10.8 44.3 107 107 A Y E -HI 189 212C 23 105,-2.8 105,-2.7 -2,-0.5 2,-0.8 -0.938 33.5-109.1-134.8 151.1 5.4 7.7 42.2 108 108 A D E >> - 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k 0 171C 3 35,-2.1 37,-1.6 -2,-0.3 57,-0.1 -0.946 28.4-127.6-148.2 166.5 14.4 8.7 50.6 136 136 A V > - 0 0 1 -2,-0.3 3,-1.5 55,-0.3 6,-0.2 -0.877 15.1-171.8-126.0 97.5 16.7 11.6 51.4 137 137 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 0.609 87.2 45.4 -71.0 -10.9 18.7 11.1 54.6 138 138 A T T 3 S+ 0 0 79 34,-0.5 2,-0.2 35,-0.1 35,-0.1 0.464 83.7 120.2-108.3 -0.7 20.1 14.7 54.6 139 139 A S <> - 0 0 16 -3,-1.5 4,-2.0 1,-0.1 5,-0.2 -0.421 62.5-138.8 -70.8 133.4 16.9 16.5 53.8 140 140 A G H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.879 107.3 49.7 -53.3 -40.4 15.7 19.0 56.4 141 141 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.830 104.4 58.3 -72.9 -31.2 12.1 17.8 55.9 142 142 A F H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 106.2 49.9 -58.8 -44.6 13.2 14.2 56.3 143 143 A L H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.906 110.1 48.4 -61.7 -42.2 14.6 15.2 59.8 144 144 A E H X S+ 0 0 17 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.836 108.2 57.8 -67.6 -28.5 11.3 16.8 60.7 145 145 A Q H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.921 104.9 48.0 -64.3 -47.5 9.6 13.6 59.4 146 146 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 110.6 53.8 -58.4 -43.0 11.6 11.5 61.9 147 147 A V H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.944 108.3 48.7 -53.9 -51.9 10.6 14.0 64.6 148 148 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.901 110.4 50.9 -56.9 -43.8 6.9 13.6 63.7 149 149 A I H X>S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-1.0 0.884 108.4 51.7 -66.3 -37.9 7.1 9.8 63.8 150 150 A V H X5S+ 0 0 31 -4,-2.3 4,-1.0 3,-0.2 -1,-0.2 0.932 115.1 42.8 -60.9 -44.7 8.8 9.9 67.2 151 151 A K H <5S+ 0 0 64 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.909 123.7 35.2 -69.4 -42.0 6.0 12.1 68.5 152 152 A L H <5S+ 0 0 78 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.782 138.9 13.3 -87.1 -27.8 3.1 10.2 66.9 153 153 A K H <5S- 0 0 110 -4,-2.8 4,-0.3 -5,-0.3 -3,-0.2 0.550 108.5-106.9-126.3 -13.6 4.4 6.6 67.1 154 154 A G X< - 0 0 26 -4,-1.0 4,-1.7 -5,-1.0 3,-0.5 -0.067 36.4 -76.0 99.3 158.7 7.3 6.8 69.5 155 155 A E H > S+ 0 0 115 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.577 127.2 59.3 -73.5 -7.7 11.1 6.5 69.1 156 156 A A H > S+ 0 0 81 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 106.2 46.6 -83.2 -39.9 10.9 2.8 68.6 157 157 A A H > S+ 0 0 21 -3,-0.5 4,-2.1 -4,-0.3 -2,-0.2 0.873 112.8 52.9 -61.5 -38.0 8.7 3.2 65.6 158 158 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.851 110.7 42.3 -75.6 -36.2 11.0 5.9 64.3 159 159 A L H X S+ 0 0 21 -4,-1.2 4,-3.3 2,-0.2 5,-0.2 0.906 114.6 51.8 -76.6 -36.6 14.3 3.9 64.5 160 160 A K H X S+ 0 0 159 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.889 111.6 48.3 -60.3 -40.2 12.6 0.8 63.1 161 161 A W H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.910 113.1 47.2 -64.3 -45.6 11.3 3.0 60.2 162 162 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 113.4 48.0 -60.6 -46.4 14.8 4.5 59.7 163 163 A K H X S+ 0 0 111 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.898 110.3 52.2 -64.6 -41.2 16.4 1.0 59.8 164 164 A G H X>S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 5,-0.5 0.929 111.1 46.0 -58.2 -49.6 13.8 -0.4 57.3 165 165 A L H X5S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.884 111.9 54.1 -59.9 -40.9 14.5 2.5 54.9 166 166 A K H <5S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.890 117.1 36.2 -55.7 -45.2 18.2 1.8 55.4 167 167 A E H <5S+ 0 0 116 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.853 134.8 18.5 -80.4 -37.4 17.8 -1.9 54.6 168 168 A Y H <5S+ 0 0 57 -4,-3.1 -37,-4.7 -5,-0.2 -36,-0.4 0.712 110.0 69.5-116.2 -26.4 15.2 -1.7 51.8 169 169 A G S < S- 0 0 123 1,-0.1 4,-2.2 -39,-0.1 -1,-0.1 -0.934 72.7-115.4-137.8 165.7 18.6 15.8 47.4 175 175 A N H > S+ 0 0 6 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.852 117.7 53.6 -65.5 -36.1 14.9 15.7 46.9 176 176 A S H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 109.1 47.9 -65.8 -45.1 15.2 16.7 43.3 177 177 A V H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 111.3 52.4 -57.4 -43.9 17.7 13.9 42.7 178 178 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.963 112.5 43.6 -56.5 -53.0 15.2 11.6 44.4 179 179 A L H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.854 114.6 49.5 -62.4 -38.0 12.4 12.7 42.2 180 180 A Q H X S+ 0 0 65 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.791 105.9 56.3 -76.5 -27.1 14.5 12.6 39.0 181 181 A A H <>S+ 0 0 3 -4,-2.2 5,-2.0 2,-0.2 6,-0.8 0.813 108.4 49.5 -69.5 -30.2 15.8 9.1 39.9 182 182 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.5 4,-0.2 -2,-0.2 0.861 107.6 52.2 -73.5 -39.6 12.1 8.0 40.0 183 183 A E H 3<5S+ 0 0 19 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.866 105.1 55.7 -68.0 -33.7 11.4 9.7 36.6 184 184 A N T 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.404 117.2-120.2 -74.4 3.6 14.3 7.7 35.1 185 185 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.641 81.2 124.4 67.4 13.9 12.5 4.6 36.5 186 186 A E S -H 103 0C 0 -90,-0.2 3,-0.6 -2,-0.2 4,-0.4 -0.738 40.3-120.1 -96.3 156.2 8.3 17.5 49.6 194 194 A N T >> S+ 0 0 10 -92,-1.8 3,-1.4 -2,-0.3 4,-0.7 0.832 100.1 66.6 -67.2 -35.5 5.4 18.5 47.3 195 195 A Y H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 68,-0.4 0.733 86.4 68.4 -70.8 -23.6 6.7 21.6 45.7 196 196 A Y H <> S+ 0 0 23 -3,-0.6 4,-2.4 1,-0.2 -1,-0.3 0.872 93.7 61.0 -59.0 -34.9 9.5 19.9 43.7 197 197 A W H <> S+ 0 0 43 -3,-1.4 4,-2.4 -4,-0.4 5,-0.2 0.946 102.8 48.1 -61.1 -50.1 6.8 18.2 41.6 198 198 A H H X S+ 0 0 42 -4,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.943 110.9 51.6 -52.6 -52.2 5.4 21.5 40.3 199 199 A A H X S+ 0 0 27 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.901 109.3 50.4 -55.7 -45.0 8.9 22.8 39.4 200 200 A F H X S+ 0 0 27 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.979 111.5 46.8 -55.8 -56.6 9.7 19.7 37.5 201 201 A A H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.853 110.9 53.0 -58.4 -36.1 6.5 19.8 35.4 202 202 A R H < S+ 0 0 199 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.937 115.7 39.5 -65.4 -42.5 7.1 23.5 34.7 203 203 A E H < S+ 0 0 169 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.897 128.5 30.2 -71.8 -40.5 10.6 22.9 33.4 204 204 A K H < S- 0 0 92 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.734 113.2-103.5 -93.5 -23.7 9.9 19.7 31.5 205 205 A G >< - 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